MolNFT v1 · #159854 · protein
E. COLI fumarase mutant - T187A
6P3C · Fumarate hydratase class II: “E. COLI fumarase mutant - T187A”. X-ray diffraction, 5 pockets (best druggability 0.47). MolNFT v1 #159854 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6P3C
- Type
- protein
- Length
- 920 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarate hydratase class II
- EC
- 4.2.1.2
- UniProt
- P05042
- Pockets
- 5 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate hydratase class II (EC 4.2.1.2) | protein | 461 | 61% helix, 8% strand | P05042 |
| B | Fumarate hydratase class II (EC 4.2.1.2) | protein | 459 | 61% helix, 8% strand | P05042 |
Ligands and binding sites
- FLC · Citrate anion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.47 | 0.73 | 43 | empty |
| 2 | 194 | 0.42 | 0.73 | 30 | empty |
| 3 | 87 | 0.36 | 0.75 | 18 | empty |
| 4 | 61 | 0.31 | 0.76 | 17 | empty |
| 5 | 64 | 0.31 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2888 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P05042
- Elsewhere: RCSB PDB 6P3C · PDBe 6P3C · UniProt P05042
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